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Ethyl 5-methyl-5-phenyl-4-pentenoate

HCID 70170845
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCC=C(C)c1ccccc1
InChIKey
KQRAUQKWBGRYFW-UHFFFAOYSA-N
Molecular formula
C14H18O2
Average molar mass
218.29 g/mol
Monoisotopic mass
218.13067981

Names & identifiers

Preferred name
Ethyl 5-methyl-5-phenyl-4-pentenoate
IUPAC
ethyl 5-phenylhex-4-enoate

Names & synonyms

SCHEMBL7714709KQRAUQKWBGRYFW-UHFFFAOYSA-Nethyl 5-methyl-5-phenyl-4-pentenoate

Database identifiers

PubChem CID
70170845

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
237

Related reactions

4 records
New reaction record
HRID 840967 reaction equation
HRID 840967As productuspto-grants-2002_04
HRID 840968 reaction equation
HRID 840968As reactantuspto-grants-2002_04
HRID 2139008 reaction equation
HRID 2139008As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2320531 reaction equation
HRID 2320531As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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